De novo generation of optically active small organic molecules using Monte Carlo tree search combined with recurrent neural network

scientific article published on 26 October 2020

De novo generation of optically active small organic molecules using Monte Carlo tree search combined with recurrent neural network is …
instance of (P31):
scholarly articleQ13442814

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P356DOI10.1002/JCC.26441
P698PubMed publication ID33103802

P50authorMichio KatoudaQ39383721
Motomichi TashiroQ57037932
P2093author name stringYutaka Imamura
P2860cites workEstimation of synthetic accessibility score of drug-like molecules based on molecular complexity and fragment contributionsQ27702095
Why is Tanimoto index an appropriate choice for fingerprint-based similarity calculations?Q27702310
SMILES, a chemical language and information system. 1. Introduction to methodology and encoding rulesQ28090714
PubChem 2019 update: improved access to chemical dataQ58106115
Convolutional Neural Networks for the Design and Analysis of Non-Fullerene AcceptorsQ91224500
P921main subjectrecurrent neural networkQ1457734
P577publication date2020-10-26
P1433published inJournal of Computational ChemistryQ3186908
P1476titleDe novo generation of optically active small organic molecules using Monte Carlo tree search combined with recurrent neural network

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